(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone

C20H19F3N2O2 — CID 121195347

IUPAC(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-5-16(17)19(26)25-13-8-9-14(25)12-15(11-13)27-18-7-3-4-10-24-18/h1-7,10,13-15H,8-9,11-12H2
InChIKeyGJORFTNSSCPKGX-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.32
Rot. Bonds3

About (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone

(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 121195347) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
PubChem CID121195347
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)N1C2CCC1CC(Oc1ccccn1)C2
InChIInChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-5-16(17)19(26)25-13-8-9-14(25)12-15(11-13)27-18-7-3-4-10-24-18/h1-7,10,13-15H,8-9,11-12H2
InChIKeyGJORFTNSSCPKGX-UHFFFAOYSA-N
XLogP4.32
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-pyridin-2-yloxyazetidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 122247141
3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 66927720
(2,4-dichlorophenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195460
(1S,5R)-3-pyridin-2-yloxy-N-[4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 66927555
(4-bromothiophen-2-yl)-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129357904
1-benzothiophen-2-yl-[(1S,5S)-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 129356016
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-6-ylmethanone
CID 121195478
(3,4-dimethylphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195475
N,N-diphenyl-3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 121195568
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195501
(3-fluoro-4-methoxyphenyl)-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121022249
oxan-4-yl-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121195554

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone (CID 121195347) is (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)N1C2CCC1CC(Oc1ccccn1)C2.
What is the InChIKey of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is GJORFTNSSCPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c21-20(22,23)17-6-2-1-5-16(17)19(26)25-13-8-9-14(25)12-15(11-13)27-18-7-3-4-10-24-18/h1-7,10,13-15H,8-9,11-12H2.
What are the key properties of (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone?
(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 121195347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).